SpectraBase Spectrum ID |
1yojK0dEL00 |
Name |
Fumaric acid, monoamide, N-(2-ethylphenyl)-, nonyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.230393859 u |
Formula |
C21H31NO3 |
InChI |
InChI=1S/C21H31NO3/c1-3-5-6-7-8-9-12-17-25-21(24)16-15-20(23)22-19-14-11-10-13-18(19)4-2/h10-11,13-16H,3-9,12,17H2,1-2H3,(H,22,23)/b16-15+ |
InChIKey |
DZMJTUHMXNMZGQ-FOCLMDBBSA-N |
Molecular Weight |
345.483 g/mol |
SMILES |
CCCCCCCCCOC(\C=C\C(NC1=CC=CC=C1CC)=O)=O |